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Compound Detail

CHEMBL5284586

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COc1ccc(CNC(=O)c2cc3sc(N4CCCCC4)nc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5284586
Phase Preclinical
Structure Type MOL
InChI Key KFIKZJHIIZFDGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
4.29
ALogP
6
HBA
1
HBD
54.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O2S2
MW 387.53
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
33075682 10.1016/j.bmc.2020.115797 Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine